5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide

C23H31N3O3S — CID 55754112

IUPAC5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CCN(Cc3ccccc3C)CC2)c1
InChIInChI=1S/C23H31N3O3S/c1-4-24-30(28,29)21-10-9-18(3)22(15-21)23(27)25-20-11-13-26(14-12-20)16-19-8-6-5-7-17(19)2/h5-10,15,20,24H,4,11-14,16H2,1-3H3,(H,25,27)
InChIKeyYIFBCRMGNMUVEG-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.00
Rot. Bonds7

About 5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide

5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 55754112) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide
PubChem CID55754112
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CCN(Cc3ccccc3C)CC2)c1
InChIInChI=1S/C23H31N3O3S/c1-4-24-30(28,29)21-10-9-18(3)22(15-21)23(27)25-20-11-13-26(14-12-20)16-19-8-6-5-7-17(19)2/h5-10,15,20,24H,4,11-14,16H2,1-3H3,(H,25,27)
InChIKeyYIFBCRMGNMUVEG-UHFFFAOYSA-N
XLogP3.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide
CID 55753935
5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide
CID 56552234
4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482213
2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide
CID 55745159
N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 26691417
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55973375
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
CID 136577828
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide
CID 55753843
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119438951
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043015
1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide
CID 55911141

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide (CID 55754112) is 5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CCN(Cc3ccccc3C)CC2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is YIFBCRMGNMUVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-4-24-30(28,29)21-10-9-18(3)22(15-21)23(27)25-20-11-13-26(14-12-20)16-19-8-6-5-7-17(19)2/h5-10,15,20,24H,4,11-14,16H2,1-3H3,(H,25,27).
What are the key properties of 5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide?
5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 429.59 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 55754112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).